(+)-Eleutherin
Basic information
- CAS
478-36-4- Standard SMILES
COc1cccc2c1C(=O)C1=C(C[C@H](C)O[C@@H]1C)C2=O- InChIKey
IAJIIJBMBCZPSW-DTWKUNHWSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Overview
Eleutherin is a member of p-quinones and a benzoisochromanequinone.
Names & identifiers
- Preferred name
- (+)-Eleutherin
- IUPAC
- (1R,3S)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
- English name
- eleutherin
- Molecular formula
- C16H16O4
- Molecular weight
- 272.3
Names & synonyms
Eleutherin478-36-4(+)-Eleutherin(1R,3S)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione9J86WO1VYKDTXSID401972811H-Naphtho(2,3-c)pyran-5,10-dione, 3,4-dihydro-9-methoxy-1,3-dimethyl-, (1R-cis)-(1R,3S)-9-Methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo(g)isochromene-5,10-dioneRefChem:905458DTXCID50119772BRN 0087122(+/-)-Eleutherin
Show more names
(1R,3S)-9-methoxy-1,3-dimethyl-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-5,10-dione
Eleutherin, (+/-)-7FTP57M80A64869-73-41H-Naphtho[2,3-c]pyran-5,10-dione, 3,4-dihydro-9-methoxy-1,3-dimethyl-, (1R,3S)-1H-Naphtho(2,3-C)pyran-5,10-dione, 3,4-dihydro-9-methoxy-1,3-dimethyl-, (1R,3S)-rel-1H-Naphtho(2,3-C)pyran-5,10-dione, 3,4-dihydro-9-methoxy-1,3-dimethyl-, cis-1H-Naphtho(2,3-C)pyran-5,10-dione, 3,4-dihydro-9-methoxy-1,3-dimethyl-, cis-(+/-)-1H-NAPHTHO(2,3-C)PYRAN-5,10-DIONE, 3,4-DIHYDRO-9-METHOXY-1,3-DIMETHYL-, (1R,3S)-
Database identifiers
- CAS
478-36-4、64869-73-4- PubChem CID
- 10166
- DTXSID
DTXSID40197281- ChEMBL
CHEMBL594153- ChEBI
CHEBI:4774- UNII
- 7FTP57M80A、9J86WO1VYK
- Nikkaji
- J86.425K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Melting point
- 175 °C · 175 °C
- Boiling point
- 465.3 · 465.3±45.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- form
- Solid
- color
- Light yellow to yellow
- FDA UNII
- 9 J86WO1VYK · 9J86WO1VYK
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II.
Applications
UsesEleutherin is a type of naphthoquinone derivative with the protective effect against the injury ofhuman umbilical vein endothelial cells (HUVECs), which can be isolated from the edible bulbs of Eleutherine americana (Hong-Cong)[1].
Additional notes
DefinitionChEBI: Eleutherin is a benzoisochromanequinone and a member of p-quinones.
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